SCHEMBL1768087

SCHEMBL1768087

CCC(C(=O)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.47
LPL P06858 8/20 0.47
ESR2 Q92731 1/20 0.46
P4HB P07237 1/20 0.44
F11 P03951 3/20 0.43
F2 P00734 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
AKR1C1 Q04828 1/20 0.41
PTGS1 P23219 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16918909 0.88 LIPG (0.47) LIPGLPLESR2P4HBF11
SCHEMBL10670 0.84 LIPG (0.44) LIPGLPLESR2P4HBF11
SCHEMBL28858840 0.83 LIPG (0.46) LIPGLPLP4HBAKR1C3AKR1C2
SCHEMBL1678838 0.80 LIPG (0.50) LIPGLPLESR2P4HBF11
SCHEMBL15092429 0.78 MEN1 (0.48) LIPGLPLESR2P4HBF11
SCHEMBL1574429 0.78 AKR1C3 (0.58) AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL15096663 0.77 LIPG (0.56) LIPGLPLESR2P4HBF11
SCHEMBL2546307 0.76 LIPG (0.42) LIPGLPLESR2P4HBF11
SCHEMBL3511752 0.76 LIPG (0.46) LIPGLPLESR2P4HBF11
SCHEMBL15777574 0.76 FFAR1 (0.48) LIPGLPLESR2P4HBF11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124643-A1 PYRIDINOPYRIDINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-05-26 US disclosed
WO-2011061458-A1 PYRIDINE-PYRIDINONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-05-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110124643-A1 PYRIDINOPYRIDINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF FLT3, PDGFRB, PDGFRA LIPG 2681/4885LPL 3594/4885ESR2 2613/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.